4-[1-[(3-butyl-2-ethylsulfonyl-imidazol-4-yl)methyl]piperidin-1-ium-4-yl]pyridine

Systemtic Name: 4-[1-[(3-butyl-2-ethylsulfonyl-imidazol-4-yl)methyl]piperidin-1-ium-4-yl]pyridine Openeye Name: 4-[1-[(3-butyl-2-ethylsulfonyl-imidazol-4-yl)methyl]piperidin-1-ium-4-yl]pyridine CAS Name: 4-[1-[(3-butyl-2-ethylsulfonyl-4-imidazolyl)methyl]-4-piperidin-1-iumyl]pyridine IUPAC Name: 4-[1-[(3-butyl-2-ethylsulfonylimidazol-4-yl)methyl]piperidin-1-ium-4-yl]pyridine Traditional Name: 4-[1-[(3-butyl-2-esyl-imidazol-4-yl)methyl]piperidin-1-ium-4-yl]pyridine Formula: C20H31N4O2S+ MolecularWeight: 391.55074

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=CN=C1S(=O)(=O)CC)C[NH+]2CCC(CC2)C3=CC=NC=C3

Isomeric SMILES

CCCCN1C(=CN=C1S(=O)(=O)CC)C[NH+]2CCC(CC2)C3=CC=NC=C3

InChI

InChI=1S/C20H30N4O2S/c1-3-5-12-24-19(15-22-20(24)27(25,26)4-2)16-23-13-8-18(9-14-23)17-6-10-21-11-7-17/h6-7,10-11,15,18H,3-5,8-9,12-14,16H2,1-2H3/p+1